-
1
-
-
0038336897
-
Application and limitations of X-ray crystallographic data in structure-based ligand and drug design
-
Davis A.M., Teague S.J., and Kleywegt G.J. Application and limitations of X-ray crystallographic data in structure-based ligand and drug design. Angew. Chem. Int. Ed. 42 (2003) 2718-2736
-
(2003)
Angew. Chem. Int. Ed.
, vol.42
, pp. 2718-2736
-
-
Davis, A.M.1
Teague, S.J.2
Kleywegt, G.J.3
-
2
-
-
0036051992
-
High-throughput crystallography for lead discovery in drug design
-
Blundell T., Jhoti H., and Abell C. High-throughput crystallography for lead discovery in drug design. Nature Rev. Drug Discov. 1 (2002) 45-54
-
(2002)
Nature Rev. Drug Discov.
, vol.1
, pp. 45-54
-
-
Blundell, T.1
Jhoti, H.2
Abell, C.3
-
3
-
-
22544461068
-
Recent applications of protein crystallography and structure-guided drug design
-
Williams S.P., Kuyper L.F., and Pearce K.H. Recent applications of protein crystallography and structure-guided drug design. Curr. Opin. Chem. Biol. 9 (2005) 371-380
-
(2005)
Curr. Opin. Chem. Biol.
, vol.9
, pp. 371-380
-
-
Williams, S.P.1
Kuyper, L.F.2
Pearce, K.H.3
-
4
-
-
21444438012
-
The devil is still in the details-driving early drug discovery forward with biophysical experimental methods
-
Lundqvist T. The devil is still in the details-driving early drug discovery forward with biophysical experimental methods. Curr. Opin. Drug Discov. 8 (2005) 513-519
-
(2005)
Curr. Opin. Drug Discov.
, vol.8
, pp. 513-519
-
-
Lundqvist, T.1
-
5
-
-
33646063571
-
Conformational flexibility in the peripheral site of torpedo californica acetylcholinesterase revealed by the complex structure with a bifunctional inhibitor
-
Colletier J.P., Sanson B., Nachon F., Gabellieri E., Fattorusso C., Campiani G., and Weik M. Conformational flexibility in the peripheral site of torpedo californica acetylcholinesterase revealed by the complex structure with a bifunctional inhibitor. J. Am. Chem. Soc. 128 (2006) 4526-4527
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 4526-4527
-
-
Colletier, J.P.1
Sanson, B.2
Nachon, F.3
Gabellieri, E.4
Fattorusso, C.5
Campiani, G.6
Weik, M.7
-
6
-
-
0037666888
-
Implications of protein flexibility for drug discovery
-
Teague S.J. Implications of protein flexibility for drug discovery. Nature Rev. Drug Discov. 2 (2003) 527-540
-
(2003)
Nature Rev. Drug Discov.
, vol.2
, pp. 527-540
-
-
Teague, S.J.1
-
7
-
-
2542571016
-
Ultrahigh resolution drug design I: details of interactions in human aldose reductase-inhibitor complex at 0.66 A
-
Howard E.I., Sanishvili R., Cachau R.E., Mitschler A., Chevrier B., Barth P., et al. Ultrahigh resolution drug design I: details of interactions in human aldose reductase-inhibitor complex at 0.66 A. Proteins 55 (2004) 792-804
-
(2004)
Proteins
, vol.55
, pp. 792-804
-
-
Howard, E.I.1
Sanishvili, R.2
Cachau, R.E.3
Mitschler, A.4
Chevrier, B.5
Barth, P.6
-
8
-
-
0032578366
-
Structural features of the aldose reductase and aldehyde reductase inhibitor binding sites
-
El-Kabbani O., Wilson D.K., Petrash J.M., and Quiocho F.A. Structural features of the aldose reductase and aldehyde reductase inhibitor binding sites. Mol. Vis. 4 (1998) 19-25
-
(1998)
Mol. Vis.
, vol.4
, pp. 19-25
-
-
El-Kabbani, O.1
Wilson, D.K.2
Petrash, J.M.3
Quiocho, F.A.4
-
9
-
-
0031570301
-
A "specificity" pocket inferred from the crystal structures of the complexes of aldose reductase with the pharmaceutically important inhibitors tolrestat and sorbinil
-
Urzhumtsev A., Tete-Favier F., Mitschler A., Barbanton J., Barth P., Urzhumtseva L., et al. A "specificity" pocket inferred from the crystal structures of the complexes of aldose reductase with the pharmaceutically important inhibitors tolrestat and sorbinil. Structure 5 (1997) 601-612
-
(1997)
Structure
, vol.5
, pp. 601-612
-
-
Urzhumtsev, A.1
Tete-Favier, F.2
Mitschler, A.3
Barbanton, J.4
Barth, P.5
Urzhumtseva, L.6
-
10
-
-
30344476404
-
High resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group
-
Steuber H., Zentgraf M., Podjarny A.D., Heine A., and Klebe G. High resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group. J. Mol. Biol. 356 (2006) 45-56
-
(2006)
J. Mol. Biol.
, vol.356
, pp. 45-56
-
-
Steuber, H.1
Zentgraf, M.2
Podjarny, A.D.3
Heine, A.4
Klebe, G.5
-
11
-
-
0242686301
-
Modelling the catalytic reaction in human aldose reductase
-
Varnai P., Richards W., and Lyne P.D. Modelling the catalytic reaction in human aldose reductase. Proteins 37 (1999) 218-227
-
(1999)
Proteins
, vol.37
, pp. 218-227
-
-
Varnai, P.1
Richards, W.2
Lyne, P.D.3
-
12
-
-
8344286639
-
Model of the catalytic mechanism of human aldose reductase based on quantum chemical calculations
-
Cachau R., Howard E., Barth P., Mitschler A., Chevrier B., Lamour V., et al. Model of the catalytic mechanism of human aldose reductase based on quantum chemical calculations. J. Phys. IV France 10 (2000) 3-13
-
(2000)
J. Phys. IV France
, vol.10
, pp. 3-13
-
-
Cachau, R.1
Howard, E.2
Barth, P.3
Mitschler, A.4
Chevrier, B.5
Lamour, V.6
-
13
-
-
0035856980
-
Biochemistry and molecular cell biology of diabetic complications
-
Brownlee M. Biochemistry and molecular cell biology of diabetic complications. Nature 414 (2001) 813-820
-
(2001)
Nature
, vol.414
, pp. 813-820
-
-
Brownlee, M.1
-
14
-
-
0036796875
-
Oxidative stress and stress-activated signalling pathways: a unifying hypothesis of type 2 diabetes
-
Evans J.L., Goldfine I.D., Maddux B.A., and Grodsky G.M. Oxidative stress and stress-activated signalling pathways: a unifying hypothesis of type 2 diabetes. Endocr. Rev. 23 (2002) 599-622
-
(2002)
Endocr. Rev.
, vol.23
, pp. 599-622
-
-
Evans, J.L.1
Goldfine, I.D.2
Maddux, B.A.3
Grodsky, G.M.4
-
15
-
-
3042742246
-
Mitogen-activated protein kinase p38 mediates reduced nerve conduction velocity in experimental diabetic neuropathy-interactions with aldose reductase
-
Price S.A., Agthong S., Middlemas A.B., and Tomlinson D.R. Mitogen-activated protein kinase p38 mediates reduced nerve conduction velocity in experimental diabetic neuropathy-interactions with aldose reductase. Diabetes 53 (2004) 1851-1856
-
(2004)
Diabetes
, vol.53
, pp. 1851-1856
-
-
Price, S.A.1
Agthong, S.2
Middlemas, A.B.3
Tomlinson, D.R.4
-
16
-
-
0035078761
-
Diabetes accelerates smoth muscle accumulation in lesions of atherosclerosis. Lack of direct growth-promoting effects of high glucose levels
-
Suzuki L.A., Poot M., Gerrity R.G., and Bornfeldt K.E. Diabetes accelerates smoth muscle accumulation in lesions of atherosclerosis. Lack of direct growth-promoting effects of high glucose levels. Diabetes 50 (2001) 851-860
-
(2001)
Diabetes
, vol.50
, pp. 851-860
-
-
Suzuki, L.A.1
Poot, M.2
Gerrity, R.G.3
Bornfeldt, K.E.4
-
17
-
-
0035062863
-
Glucose-induced hyperproliferation of cultured rat aortic smooth muscle cells through polyol pathway hyperactivity
-
Nakamura J., Kasuya Y., Hamada Y., Nakashima E., Naruse K., Yasuda Y., et al. Glucose-induced hyperproliferation of cultured rat aortic smooth muscle cells through polyol pathway hyperactivity. Diabetologica 44 (2001) 480-487
-
(2001)
Diabetologica
, vol.44
, pp. 480-487
-
-
Nakamura, J.1
Kasuya, Y.2
Hamada, Y.3
Nakashima, E.4
Naruse, K.5
Yasuda, Y.6
-
18
-
-
0042309876
-
Recent studies of aldose reductase enzyme inhibition for diabetic complications
-
Suzen S., and Buyukbingol E. Recent studies of aldose reductase enzyme inhibition for diabetic complications. Curr. Med. Chem. 10 (2003) 1329-1352
-
(2003)
Curr. Med. Chem.
, vol.10
, pp. 1329-1352
-
-
Suzen, S.1
Buyukbingol, E.2
-
19
-
-
27444440949
-
Naphtho [1,2-d]isothiazole acetic acid derivatives as a novel class of selective aldose reductase inhibitors
-
Da Settimo F., Primofiore G., La Motta C., Sartini S., Taliani S., Simorini F., et al. Naphtho [1,2-d]isothiazole acetic acid derivatives as a novel class of selective aldose reductase inhibitors. J. Med. Chem. 48 (2005) 6897-6907
-
(2005)
J. Med. Chem.
, vol.48
, pp. 6897-6907
-
-
Da Settimo, F.1
Primofiore, G.2
La Motta, C.3
Sartini, S.4
Taliani, S.5
Simorini, F.6
-
20
-
-
0027378377
-
Refined 1.8 Å structure of human aldose reductase complexed with the potent inhibitor zopolrestat
-
Wilson D.K., Tarle I., Petrash J.M., and Quiocho F.A. Refined 1.8 Å structure of human aldose reductase complexed with the potent inhibitor zopolrestat. Proc. Natl Acad. Sci. USA 90 (1993) 9847-9851
-
(1993)
Proc. Natl Acad. Sci. USA
, vol.90
, pp. 9847-9851
-
-
Wilson, D.K.1
Tarle, I.2
Petrash, J.M.3
Quiocho, F.A.4
-
21
-
-
33748758728
-
Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying conditions
-
Steuber H., Zentgraf M., Gerlach C., Sotriffer C.A., Heine A., and Klebe G. Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying conditions. J. Mol. Biol. 363 (2006) 174-187
-
(2006)
J. Mol. Biol.
, vol.363
, pp. 174-187
-
-
Steuber, H.1
Zentgraf, M.2
Gerlach, C.3
Sotriffer, C.A.4
Heine, A.5
Klebe, G.6
-
22
-
-
2542643894
-
Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
-
El-Kabbani O., Darmanin C., Schneider T.R., Hazemann I., Ruiz F., Oka M., et al. Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors. Proteins 55 (2004) 805-813
-
(2004)
Proteins
, vol.55
, pp. 805-813
-
-
El-Kabbani, O.1
Darmanin, C.2
Schneider, T.R.3
Hazemann, I.4
Ruiz, F.5
Oka, M.6
-
23
-
-
0036005614
-
The structure of human recombinant aldose reductase complexed with the potent inhibitor zenarestat
-
Kinoshita T., Miyake H., Fujii T., Takakura S., and Goto T. The structure of human recombinant aldose reductase complexed with the potent inhibitor zenarestat. Acta Crystallog. sect. D 58 (2002) 622-626
-
(2002)
Acta Crystallog. sect. D
, vol.58
, pp. 622-626
-
-
Kinoshita, T.1
Miyake, H.2
Fujii, T.3
Takakura, S.4
Goto, T.5
-
24
-
-
16644401502
-
The crystallographic structure of the aldose reductase-IDD 552 complex shows direct proton donation from tyrosine 48
-
Ruiz F., Hazemann I., Mitschler A., Joachimiak A., Schneider T., Karplus M., and Podjarny A. The crystallographic structure of the aldose reductase-IDD 552 complex shows direct proton donation from tyrosine 48. Acta Crystallog. sect. D 60 (2004) 1347-1354
-
(2004)
Acta Crystallog. sect. D
, vol.60
, pp. 1347-1354
-
-
Ruiz, F.1
Hazemann, I.2
Mitschler, A.3
Joachimiak, A.4
Schneider, T.5
Karplus, M.6
Podjarny, A.7
-
25
-
-
0037436339
-
Relibase: design and development of a database for comprehensive analysis of protein-ligand interactions
-
Hendlich M., Bergner A., Gunther J., and Klebe G. Relibase: design and development of a database for comprehensive analysis of protein-ligand interactions. J. Mol. Biol. 326 (2003) 99-110
-
(2003)
J. Mol. Biol.
, vol.326
, pp. 99-110
-
-
Hendlich, M.1
Bergner, A.2
Gunther, J.3
Klebe, G.4
-
27
-
-
2642569349
-
Probing flexibility and "induced-fit" phenomena in aldose reductase by comparative crystal structure analysis and molecular dynamics simulations
-
Sotriffer C.A., Krämer O., and Klebe G. Probing flexibility and "induced-fit" phenomena in aldose reductase by comparative crystal structure analysis and molecular dynamics simulations. Proteins 56 (2004) 52-66
-
(2004)
Proteins
, vol.56
, pp. 52-66
-
-
Sotriffer, C.A.1
Krämer, O.2
Klebe, G.3
-
28
-
-
34250839499
-
-
Zentgraf, M., Steuber, H., Koch, C., La Motta, C., Sartini, S., Sotriffer, C. A. & Klebe, G. (2007). How reliable are current docking approaches for structure-based drug design? Angew. Chem. Int. Ed. Engl., in press.
-
-
-
-
29
-
-
0031059866
-
Processing of X-ray diffraction data collected in oscillation mode
-
Otwinowski Z., and Minor W. Processing of X-ray diffraction data collected in oscillation mode. Methods Enzymol. 276 (1997) 307-326
-
(1997)
Methods Enzymol.
, vol.276
, pp. 307-326
-
-
Otwinowski, Z.1
Minor, W.2
-
30
-
-
12944300996
-
The structure of human aldose reductase bound to the inhibitor IDD 384
-
Calderone V., Chevrier B., Van Zandt M., Lamour V., Howard E., Poterszman A., et al. The structure of human aldose reductase bound to the inhibitor IDD 384. Acta Crystallog. sect. D 56 (2000) 536-540
-
(2000)
Acta Crystallog. sect. D
, vol.56
, pp. 536-540
-
-
Calderone, V.1
Chevrier, B.2
Van Zandt, M.3
Lamour, V.4
Howard, E.5
Poterszman, A.6
-
31
-
-
3543012707
-
Crystallography and NMR system: a new software suite for macromolecular structure determination
-
Brunger A.T., Adams P.D., Clore G.M., DeLano W.L., Gros P., Grosse-Kunstleve R.W., et al. Crystallography and NMR system: a new software suite for macromolecular structure determination. Acta Crystallog. sect. D 54 (1998) 905-921
-
(1998)
Acta Crystallog. sect. D
, vol.54
, pp. 905-921
-
-
Brunger, A.T.1
Adams, P.D.2
Clore, G.M.3
DeLano, W.L.4
Gros, P.5
Grosse-Kunstleve, R.W.6
-
33
-
-
0030880598
-
SHELXL: high-resolution refinement
-
Sheldrick G.M., and Schneider T. SHELXL: high-resolution refinement. Methods Enzymol. 277 (1997) 319-343
-
(1997)
Methods Enzymol.
, vol.277
, pp. 319-343
-
-
Sheldrick, G.M.1
Schneider, T.2
-
34
-
-
84889120137
-
Improved methods for building protein models in electron density maps and the location of errors in these models
-
Jones T.A., Zou J.Y., Cowan S.W., and Kjeldgaard M. Improved methods for building protein models in electron density maps and the location of errors in these models. Acta Crystallog. sect. A 47 (1991) 110-119
-
(1991)
Acta Crystallog. sect. A
, vol.47
, pp. 110-119
-
-
Jones, T.A.1
Zou, J.Y.2
Cowan, S.W.3
Kjeldgaard, M.4
-
35
-
-
0000243829
-
PROCHECK: a program to check the stereochemical quality of protein structures
-
Laskowski R., MacArthur M., Moss D., and Thornton J. PROCHECK: a program to check the stereochemical quality of protein structures. J. Appl. Crystallog. 26 (1993) 283-291
-
(1993)
J. Appl. Crystallog.
, vol.26
, pp. 283-291
-
-
Laskowski, R.1
MacArthur, M.2
Moss, D.3
Thornton, J.4
|